Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)



Input alignment information:
Query sequenceMSGSTITPWVVGNWKMNPMRANANQLIEEFKQLLQQNQIADENCHVGVAPVSIALTTVQAQLQDAARTVYTVAQDVSRVAGTGAYTGEVSAELLKDSQINFVLVGHSERRDIFGDNVEILKAKLQNALNAGMTVIYCVGESLEQREQGQAEQVVLQQICDIAPVVTAEQWQNQVVIAYEPIWAIGTGKTASPQDAQAMHAKIR---EGLCQLTPAGSNIAILYGGSVKAENAVELAACPDINGALVGGASLNAASFYQIVQAFAQSK
2VFH Chain:B ((6-246))--------FVAANWKCNGTLESIKSLTNSFNNL----DFDPSKLDVVVFPVSVHYDHTRKLLQSKFSTG---IQNVSKF-GNGSYTGEVSAEIAKDLNIEYVIIGHWERRKYFHETDEDVREKLQASLKNNLKAVVCFGESLEQREQNKTIEVITKQVKAFVDLI--DNFDN-VILVYEPLWAIGTGKTATPEQAQLVHKEIRKIVKDTCGEKQA-NQIRILYGGSVNTENCSSLIQQEDIDGFLVGNASL-KESFVDIIKS-----


General information:
TITO was launched using:
RESULT:

Template: 2VFH.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 1230 -95467 -77.62 -401.12
target 2D structure prediction score : 0.59
Monomeric hydrophicity matching model chain B : 0.80

3D Compatibility (PKB) : -77.62
2D Compatibility (Sec. Struct. Predict.) : 0.59
1D Compatibility (Hydrophobicity) : 0.80
QMean score : 0.564

(partial model without unconserved sides chains):
PDB file : Tito_2VFH.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-2VFH-query.scw
PDB file : Tito_Scwrl_2VFH.pdb: